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Predicting the influence of a p2-symmetric substrate on molecular self-organization with an interaction-site model
Authors:Rohr Carsten  Balbás Gambra Marta  Gruber Kathrin  Höhl Cornelia  Malarek Michael S  Scherer Lukas J  Constable Edwin C  Franosch Thomas  Hermann Bianca A
Affiliation:Center for Nano Science (CeNS) and Walther-Meissner-Institute of Low Temperature Research of the Bavarian Academy of Sciences, Walther-Meissner-Str. 8, 85748 Garching, Germany. carstenrohr@gmx.de
Abstract:An interaction-site model can a priori predict molecular self-organisation on a new substrate in Monte Carlo simulations. This is experimentally confirmed with scanning tunnelling microscopy on Fréchet dendrons of a pentacontane template. Local and global ordering motifs, inclusion molecules and a rotated unit cell are correctly predicted.
Keywords:
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